URL:
<http://gna.org/bugs/?19887>
Summary: Execution of relax_fit.py and the relaxation curve
fitting failed
Project: relax
Submitted by: None
Submitted on: Mon 02 Jul 2012 08:27:01 AM UTC
Category: relax sample scripts
Severity: 3 - Normal
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: None
Originator Name: Romel
Originator Email: rbob002@xxxxxxxxxxxxxxxxx
Open/Closed: Open
Discussion Lock: Any
Release: 2.0.0
Operating System: Mac OS X (Intel)
_______________________________________________________
Details:
Dear all,
I've been trying to use the curve fitting routine for R1 and R2 in relax using
the sample script relax_fit.py. I managed to read in the spectra and obtain a
value for the uncertainty. However, once it gets to the point of performing a
grid_search that's where it fails (see below). Has anyone had a similar
problem?
[?1034h
relax 2.0.0
Molecular dynamics by NMR data analysis
Copyright (C) 2001-2006 Edward d'Auvergne
Copyright (C) 2006-2012 the relax development team
This is free software which you are welcome to modify and redistribute under
the conditions of the
GNU General Public License (GPL). This program, including all modules, is
licensed under the GPL
and comes with absolutely no warranty. For details type 'GPL' within the
relax prompt.
Assistance in using the relax prompt and scripting interface can be accessed
by typing 'help' within
the prompt.
Processor fabric: Uni-processor.
script = 'relax_fit.py'
----------------------------------------------------------------------------------------------------
###############################################################################
#
#
# Copyright (C) 2004-2012 Edward d'Auvergne
#
#
#
# This file is part of the program relax.
#
#
#
# relax is free software; you can redistribute it and/or modify
#
# it under the terms of the GNU General Public License as published by
#
# the Free Software Foundation; either version 2 of the License, or
#
# (at your option) any later version.
#
#
#
# relax is distributed in the hope that it will be useful,
#
# but WITHOUT ANY WARRANTY; without even the implied warranty of
#
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
#
# GNU General Public License for more details.
#
#
#
# You should have received a copy of the GNU General Public License
#
# along with relax; if not, write to the Free Software
#
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
#
#
#
###############################################################################
"""Script for relaxation curve fitting."""
# Create the 'rx' data pipe.
pipe.create('rx', 'relax_fit')
# Load the backbone amide 15N spins from a PDB file.
structure.read_pdb('IL6_mf.pdb')
structure.load_spins(spin_id='@N')
# Spectrum names.
names = [
'T1_1204.04',
'T1_1504.04',
'T1_1804.04',
'T1_2104.04',
'T1_2404.04',
'T1_2754.04',
'T1_304.04',
'T1_304.040',
'T1_54.04',
'T1_604.04',
'T1_604.040',
'T1_904.04',
]
# Relaxation times (in seconds).
times = [
1.204,
1.504,
1.804,
2.104,
2.404,
2.754,
0.304,
0.304,
0.054,
0.604,
0.604,
0.904
]
# Loop over the spectra.
for i in xrange(len(names)):
# Load the peak intensities.
spectrum.read_intensities(file=names[i]+'.list', dir='',
spectrum_id=names[i], int_method='height')
# Set the relaxation times.
relax_fit.relax_time(time=times[i], spectrum_id=names[i])
# Specify the duplicated spectra.
spectrum.replicated(spectrum_ids=['T1_304.04', 'T1_304.040'])
spectrum.replicated(spectrum_ids=['T1_604.04', 'T1_604.040'])
# Peak intensity error analysis.
spectrum.error_analysis()
# Deselect unresolved spins.
# deselect.read(file='unresolved', mol_name_col=1, res_num_col=2,
res_name_col=3, spin_num_col=4, spin_name_col=5)
# Set the relaxation curve type.
relax_fit.select_model('inv')
# Grid search.
grid_search(inc=11)
# Minimise.
minimise('simplex', scaling=False, constraints=False)
# Monte Carlo simulations.
monte_carlo.setup(number=500)
monte_carlo.create_data()
monte_carlo.initial_values()
minimise('simplex', scaling=False, constraints=False)
monte_carlo.error_analysis()
# Save the relaxation rates.
value.write(param='rx', file='rx.out', force=True)
# Save the results.
results.write(file='results', force=True)
# Create Grace plots of the data.
grace.write(y_data_type='chi2', file='chi2.agr', force=True) # Minimised
chi-squared value.
grace.write(y_data_type='i0', file='i0.agr', force=True) # Initial peak
intensity.
grace.write(y_data_type='rx', file='rx.agr', force=True) # Relaxation
rate.
grace.write(x_data_type='relax_times', y_data_type='intensities',
file='intensities.agr', force=True) # Average peak intensities.
grace.write(x_data_type='relax_times', y_data_type='intensities', norm=True,
file='intensities_norm.agr', force=True) # Average peak intensities
(normalised).
# Display the Grace plots.
grace.view(file='chi2.agr')
grace.view(file='i0.agr')
grace.view(file='rx.agr')
grace.view(file='intensities.agr')
grace.view(file='intensities_norm.agr')
# Save the program state.
state.save('rx.save', force=True)
----------------------------------------------------------------------------------------------------
relax> pipe.create(pipe_name='rx', pipe_type='relax_fit', bundle=None)
relax> structure.read_pdb(file='IL6_mf.pdb', dir=None, read_mol=None,
set_mol_name=None, read_model=None, set_model_num=None, parser='internal')
Internal relax PDB parser.
Opening the file 'IL6_mf.pdb' for reading.
Adding molecule 'IL6_mf_mol1' to model None (from the original molecule number
1 of model None)
relax> structure.load_spins(spin_id='@N', ave_pos=True)
Adding the following spins to the relax data store.
# mol_name res_num res_name spin_num spin_name
IL6_mf_mol1 20 LEU 1 N
IL6_mf_mol1 21 THR 20 N
IL6_mf_mol1 22 SER 34 N
IL6_mf_mol1 23 SER 45 N
IL6_mf_mol1 24 GLU 56 N
IL6_mf_mol1 25 ARG 71 N
IL6_mf_mol1 26 ILE 95 N
IL6_mf_mol1 27 ASP 114 N
IL6_mf_mol1 28 LYS 126 N
IL6_mf_mol1 29 GLN 148 N
IL6_mf_mol1 30 ILE 165 N
IL6_mf_mol1 31 ARG 184 N
IL6_mf_mol1 32 TYR 208 N
IL6_mf_mol1 33 ILE 229 N
IL6_mf_mol1 34 LEU 248 N
IL6_mf_mol1 35 ASP 267 N
IL6_mf_mol1 36 GLY 279 N
IL6_mf_mol1 37 ILE 286 N
IL6_mf_mol1 38 SER 305 N
IL6_mf_mol1 39 ALA 316 N
IL6_mf_mol1 40 LEU 326 N
IL6_mf_mol1 41 ARG 345 N
IL6_mf_mol1 42 LYS 369 N
IL6_mf_mol1 43 GLU 391 N
IL6_mf_mol1 44 THR 406 N
IL6_mf_mol1 45 CYS 420 N
IL6_mf_mol1 46 ASN 430 N
IL6_mf_mol1 47 LYS 444 N
IL6_mf_mol1 48 SER 466 N
IL6_mf_mol1 49 ASN 477 N
IL6_mf_mol1 50 MET 491 N
IL6_mf_mol1 51 CYS 508 N
IL6_mf_mol1 52 GLU 518 N
IL6_mf_mol1 53 SER 533 N
IL6_mf_mol1 54 SER 544 N
IL6_mf_mol1 55 LYS 555 N
IL6_mf_mol1 56 GLU 577 N
IL6_mf_mol1 57 ALA 592 N
IL6_mf_mol1 58 LEU 602 N
IL6_mf_mol1 59 ALA 621 N
IL6_mf_mol1 60 GLU 631 N
IL6_mf_mol1 61 ASN 646 N
IL6_mf_mol1 62 ASN 660 N
IL6_mf_mol1 63 LEU 674 N
IL6_mf_mol1 64 ASN 693 N
IL6_mf_mol1 65 LEU 707 N
IL6_mf_mol1 66 PRO 726 N
IL6_mf_mol1 67 LYS 740 N
IL6_mf_mol1 68 MET 762 N
IL6_mf_mol1 69 ALA 779 N
IL6_mf_mol1 70 GLU 789 N
IL6_mf_mol1 71 LYS 804 N
IL6_mf_mol1 72 ASP 826 N
IL6_mf_mol1 73 GLY 838 N
IL6_mf_mol1 74 CYS 845 N
IL6_mf_mol1 75 PHE 855 N
IL6_mf_mol1 76 GLN 875 N
IL6_mf_mol1 77 SER 892 N
IL6_mf_mol1 78 GLY 903 N
IL6_mf_mol1 79 PHE 910 N
IL6_mf_mol1 80 ASN 930 N
IL6_mf_mol1 81 GLU 944 N
IL6_mf_mol1 82 GLU 959 N
IL6_mf_mol1 83 THR 974 N
IL6_mf_mol1 84 CYS 988 N
IL6_mf_mol1 85 LEU 998 N
IL6_mf_mol1 86 VAL 1017 N
IL6_mf_mol1 87 LYS 1033 N
IL6_mf_mol1 88 ILE 1055 N
IL6_mf_mol1 89 ILE 1074 N
IL6_mf_mol1 90 THR 1093 N
IL6_mf_mol1 91 GLY 1107 N
IL6_mf_mol1 92 LEU 1114 N
IL6_mf_mol1 93 LEU 1133 N
IL6_mf_mol1 94 GLU 1152 N
IL6_mf_mol1 95 PHE 1167 N
IL6_mf_mol1 96 GLU 1187 N
IL6_mf_mol1 97 VAL 1202 N
IL6_mf_mol1 98 TYR 1218 N
IL6_mf_mol1 99 LEU 1239 N
IL6_mf_mol1 100 GLU 1258 N
IL6_mf_mol1 101 TYR 1273 N
IL6_mf_mol1 102 LEU 1294 N
IL6_mf_mol1 103 GLN 1313 N
IL6_mf_mol1 104 ASN 1330 N
IL6_mf_mol1 105 ARG 1344 N
IL6_mf_mol1 106 PHE 1368 N
IL6_mf_mol1 107 GLU 1388 N
IL6_mf_mol1 108 SER 1403 N
IL6_mf_mol1 109 SER 1414 N
IL6_mf_mol1 110 GLU 1425 N
IL6_mf_mol1 111 GLU 1440 N
IL6_mf_mol1 112 GLN 1455 N
IL6_mf_mol1 113 ALA 1472 N
IL6_mf_mol1 114 ARG 1482 N
IL6_mf_mol1 115 ALA 1506 N
IL6_mf_mol1 116 VAL 1516 N
IL6_mf_mol1 117 GLN 1532 N
IL6_mf_mol1 118 MET 1549 N
IL6_mf_mol1 119 SER 1566 N
IL6_mf_mol1 120 THR 1577 N
IL6_mf_mol1 121 LYS 1591 N
IL6_mf_mol1 122 VAL 1613 N
IL6_mf_mol1 123 LEU 1629 N
IL6_mf_mol1 124 ILE 1648 N
IL6_mf_mol1 125 GLN 1667 N
IL6_mf_mol1 126 PHE 1684 N
IL6_mf_mol1 127 LEU 1704 N
IL6_mf_mol1 128 GLN 1723 N
IL6_mf_mol1 129 LYS 1740 N
IL6_mf_mol1 130 LYS 1762 N
IL6_mf_mol1 131 ALA 1784 N
IL6_mf_mol1 132 LYS 1794 N
IL6_mf_mol1 133 ASN 1816 N
IL6_mf_mol1 134 LEU 1830 N
IL6_mf_mol1 135 ASP 1849 N
IL6_mf_mol1 136 ALA 1861 N
IL6_mf_mol1 137 ILE 1871 N
IL6_mf_mol1 138 THR 1890 N
IL6_mf_mol1 139 THR 1904 N
IL6_mf_mol1 140 PRO 1918 N
IL6_mf_mol1 141 ASP 1932 N
IL6_mf_mol1 142 PRO 1944 N
IL6_mf_mol1 143 THR 1958 N
IL6_mf_mol1 144 THR 1972 N
IL6_mf_mol1 145 ASN 1986 N
IL6_mf_mol1 146 ALA 2000 N
IL6_mf_mol1 147 SER 2010 N
IL6_mf_mol1 148 LEU 2021 N
IL6_mf_mol1 149 LEU 2040 N
IL6_mf_mol1 150 THR 2059 N
IL6_mf_mol1 151 LYS 2073 N
IL6_mf_mol1 152 LEU 2095 N
IL6_mf_mol1 153 GLN 2114 N
IL6_mf_mol1 154 ALA 2131 N
IL6_mf_mol1 155 GLN 2141 N
IL6_mf_mol1 156 ASN 2158 N
IL6_mf_mol1 157 GLN 2172 N
IL6_mf_mol1 158 TRP 2189 N
IL6_mf_mol1 159 LEU 2213 N
IL6_mf_mol1 160 GLN 2232 N
IL6_mf_mol1 161 ASP 2249 N
IL6_mf_mol1 162 MET 2261 N
IL6_mf_mol1 163 THR 2278 N
IL6_mf_mol1 164 THR 2292 N
IL6_mf_mol1 165 HIS 2306 N
IL6_mf_mol1 166 LEU 2323 N
IL6_mf_mol1 167 ILE 2342 N
IL6_mf_mol1 168 LEU 2361 N
IL6_mf_mol1 169 ARG 2380 N
IL6_mf_mol1 170 SER 2404 N
IL6_mf_mol1 171 PHE 2415 N
IL6_mf_mol1 172 LYS 2435 N
IL6_mf_mol1 173 GLU 2457 N
IL6_mf_mol1 174 PHE 2472 N
IL6_mf_mol1 175 LEU 2492 N
IL6_mf_mol1 176 GLN 2511 N
IL6_mf_mol1 177 SER 2528 N
IL6_mf_mol1 178 SER 2539 N
IL6_mf_mol1 179 LEU 2550 N
IL6_mf_mol1 180 ARG 2569 N
IL6_mf_mol1 181 ALA 2593 N
IL6_mf_mol1 182 LEU 2603 N
IL6_mf_mol1 183 ARG 2622 N
IL6_mf_mol1 184 GLN 2646 N
IL6_mf_mol1 185 MET 2663 N
relax> spectrum.read_intensities(file='T1_1204.04.list', dir='',
spectrum_id='T1_1204.04', heteronuc='N', proton='HN', int_method='height',
int_col=None, spin_id_col=None, mol_name_col=None, res_num_col=None,
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None,
spin_id=None, ncproc=None)
Opening the file 'T1_1204.04.list' for reading.
Sparky formatted data file.
Number of header lines found: 1
relax> relax_fit.relax_time(time=1.204, spectrum_id='T1_1204.04')
relax> spectrum.read_intensities(file='T1_1504.04.list', dir='',
spectrum_id='T1_1504.04', heteronuc='N', proton='HN', int_method='height',
int_col=None, spin_id_col=None, mol_name_col=None, res_num_col=None,
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None,
spin_id=None, ncproc=None)
Opening the file 'T1_1504.04.list' for reading.
Sparky formatted data file.
Number of header lines found: 1
relax> relax_fit.relax_time(time=1.504, spectrum_id='T1_1504.04')
relax> spectrum.read_intensities(file='T1_1804.04.list', dir='',
spectrum_id='T1_1804.04', heteronuc='N', proton='HN', int_method='height',
int_col=None, spin_id_col=None, mol_name_col=None, res_num_col=None,
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None,
spin_id=None, ncproc=None)
Opening the file 'T1_1804.04.list' for reading.
Sparky formatted data file.
Number of header lines found: 1
relax> relax_fit.relax_time(time=1.804, spectrum_id='T1_1804.04')
relax> spectrum.read_intensities(file='T1_2104.04.list', dir='',
spectrum_id='T1_2104.04', heteronuc='N', proton='HN', int_method='height',
int_col=None, spin_id_col=None, mol_name_col=None, res_num_col=None,
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None,
spin_id=None, ncproc=None)
Opening the file 'T1_2104.04.list' for reading.
Sparky formatted data file.
Number of header lines found: 1
relax> relax_fit.relax_time(time=2.104, spectrum_id='T1_2104.04')
relax> spectrum.read_intensities(file='T1_2404.04.list', dir='',
spectrum_id='T1_2404.04', heteronuc='N', proton='HN', int_method='height',
int_col=None, spin_id_col=None, mol_name_col=None, res_num_col=None,
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None,
spin_id=None, ncproc=None)
Opening the file 'T1_2404.04.list' for reading.
Sparky formatted data file.
Number of header lines found: 1
relax> relax_fit.relax_time(time=2.404, spectrum_id='T1_2404.04')
relax> spectrum.read_intensities(file='T1_2754.04.list', dir='',
spectrum_id='T1_2754.04', heteronuc='N', proton='HN', int_method='height',
int_col=None, spin_id_col=None, mol_name_col=None, res_num_col=None,
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None,
spin_id=None, ncproc=None)
Opening the file 'T1_2754.04.list' for reading.
Sparky formatted data file.
Number of header lines found: 1
relax> relax_fit.relax_time(time=2.754, spectrum_id='T1_2754.04')
relax> spectrum.read_intensities(file='T1_304.04.list', dir='',
spectrum_id='T1_304.04', heteronuc='N', proton='HN', int_method='height',
int_col=None, spin_id_col=None, mol_name_col=None, res_num_col=None,
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None,
spin_id=None, ncproc=None)
Opening the file 'T1_304.04.list' for reading.
Sparky formatted data file.
Number of header lines found: 1
relax> relax_fit.relax_time(time=0.304, spectrum_id='T1_304.04')
relax> spectrum.read_intensities(file='T1_304.040.list', dir='',
spectrum_id='T1_304.040', heteronuc='N', proton='HN', int_method='height',
int_col=None, spin_id_col=None, mol_name_col=None, res_num_col=None,
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None,
spin_id=None, ncproc=None)
Opening the file 'T1_304.040.list' for reading.
Sparky formatted data file.
Number of header lines found: 1
relax> relax_fit.relax_time(time=0.304, spectrum_id='T1_304.040')
relax> spectrum.read_intensities(file='T1_54.04.list', dir='',
spectrum_id='T1_54.04', heteronuc='N', proton='HN', int_method='height',
int_col=None, spin_id_col=None, mol_name_col=None, res_num_col=None,
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None,
spin_id=None, ncproc=None)
Opening the file 'T1_54.04.list' for reading.
Sparky formatted data file.
Number of header lines found: 1
relax> relax_fit.relax_time(time=0.054, spectrum_id='T1_54.04')
relax> spectrum.read_intensities(file='T1_604.04.list', dir='',
spectrum_id='T1_604.04', heteronuc='N', proton='HN', int_method='height',
int_col=None, spin_id_col=None, mol_name_col=None, res_num_col=None,
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None,
spin_id=None, ncproc=None)
Opening the file 'T1_604.04.list' for reading.
Sparky formatted data file.
Number of header lines found: 1
relax> relax_fit.relax_time(time=0.604, spectrum_id='T1_604.04')
relax> spectrum.read_intensities(file='T1_604.040.list', dir='',
spectrum_id='T1_604.040', heteronuc='N', proton='HN', int_method='height',
int_col=None, spin_id_col=None, mol_name_col=None, res_num_col=None,
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None,
spin_id=None, ncproc=None)
Opening the file 'T1_604.040.list' for reading.
Sparky formatted data file.
Number of header lines found: 1
relax> relax_fit.relax_time(time=0.604, spectrum_id='T1_604.040')
relax> spectrum.read_intensities(file='T1_904.04.list', dir='',
spectrum_id='T1_904.04', heteronuc='N', proton='HN', int_method='height',
int_col=None, spin_id_col=None, mol_name_col=None, res_num_col=None,
res_name_col=None, spin_num_col=None, spin_name_col=None, sep=None,
spin_id=None, ncproc=None)
Opening the file 'T1_904.04.list' for reading.
Sparky formatted data file.
Number of header lines found: 1
relax> relax_fit.relax_time(time=0.904, spectrum_id='T1_904.04')
relax> spectrum.replicated(spectrum_ids=['T1_304.04', 'T1_304.040'])
relax> spectrum.replicated(spectrum_ids=['T1_604.04', 'T1_604.040'])
relax> spectrum.error_analysis()
Intensity measure: Peak heights.
Replicated spectra: Yes.
All spectra replicated: No.
Replicated spectra: ['T1_304.04', 'T1_304.040']
Standard deviation: 54707.6690901
Replicated spectra: ['T1_604.04', 'T1_604.040']
Standard deviation: 49975.7017454
Variance averaging over all spectra.
Standard deviation for all spins: 52395.132513514036
relax> relax_fit.select_model(model='inv')
Three parameter inversion recovery fit.
relax> grid_search(lower=None, upper=None, inc=11, constraints=True,
verbosity=1)
Over-fit spin deselection.
Fitting to spin '#IL6_mf_mol1:24@56'
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Traceback (most recent call last):
File "/usr/local/relax/multi/processor.py", line 480, in run
self.callback.init_master(self)
File "/usr/local/relax/multi/__init__.py", line 319, in default_init_master
self.master.run()
File "/usr/local/relax/relax.py", line 183, in run
self.interpreter.run(self.script_file)
File "/usr/local/relax/prompt/interpreter.py", line 280, in run
return run_script(intro=self.__intro_string, local=locals(),
script_file=script_file, quit=self.__quit_flag,
show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
File "/usr/local/relax/prompt/interpreter.py", line 570, in run_script
return console.interact(intro, local, script_file, quit,
show_script=show_script, raise_relax_error=raise_relax_error)
File "/usr/local/relax/prompt/interpreter.py", line 455, in interact_script
exec_script(script_file, local)
File "/usr/local/relax/prompt/interpreter.py", line 329, in exec_script
runpy.run_module(module, globals)
File
"/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/runpy.py",
line 180, in run_module
fname, loader, pkg_name)
File
"/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/runpy.py",
line 72, in _run_code
exec code in run_globals
File "/Users/b_romel/temp_relax/backup/relax_fit.py", line 87, in <module>
grid_search(inc=11)
File "/usr/local/relax/prompt/uf_objects.py", line 220, in __call__
self._backend(*new_args, **uf_kargs)
File "/usr/local/relax/generic_fns/minimise.py", line 141, in grid_search
grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints,
verbosity=verbosity)
File "/usr/local/relax/specific_fns/relax_fit.py", line 609, in grid_search
self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc,
constraints=constraints, verbosity=verbosity, sim_index=sim_index)
File "/usr/local/relax/specific_fns/relax_fit.py", line 716, in minimise
if constraints and not match('^[Gg]rid', min_algor):
File
"/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/re.py", line
137, in match
return _compile(pattern, flags).match(string)
TypeError: bad argument type for built-in operation
_______________________________________________________
File Attachments:
-------------------------------------------------------
Date: Mon 02 Jul 2012 08:27:02 AM UTC Name: relax_fit.tar.gz Size: 128kB
By: None
<http://gna.org/bugs/download.php?file_id=15952>
-------------------------------------------------------
Date: Mon 02 Jul 2012 08:27:02 AM UTC Name: relax_info.txt Size: 6kB By:
None
<http://gna.org/bugs/download.php?file_id=15953>
-------------------------------------------------------
Date: Mon 02 Jul 2012 08:27:02 AM UTC Name: relax_fit.log Size: 25kB By:
None
<http://gna.org/bugs/download.php?file_id=15954>
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[bug #19887] Execution of relax_fit.py and the relaxation curve fitting failed